SCHEMBL96459

SCHEMBL96459

COc1cccc2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
NSD2 O96028 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KCNA3 P22001 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
BRAF P15056 1/20 0.52
HTT P42858 1/20 0.49
PDE10A Q9Y233 1/20 0.47
MAOA P21397 2/20 0.46
CLK1 P49759 3/20 0.46
CLK2 P49760 3/20 0.46
DYRK1A Q13627 3/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1491286 0.85 MAPT (0.56) MAPTLMNAKDM4EALDH1A1NSD2
Ethyl Acetate SCHEMBL29093227 0.82 KDM4E (0.47) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL96458 0.81 KCNA3 (0.54) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL21917569 0.80 CACNA2D1 (0.50) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL18356037 0.80 KCNA3 (0.50) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL11144866 0.80 KCNA3 (0.61) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL14861116 0.80 KCNA3 (0.65) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL419729 0.79 KCNA3 (0.53) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL2974564 0.78 ALDH1A1 (0.60) MAPTLMNAKDM4EALDH1A1NSD2
SCHEMBL3994903 0.78 KCNA3 (0.51) MAPTLMNAKDM4EALDH1A1NSD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 222 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
US-20230225996-A1 BIOMARKERS OF METAP2 INHIBITORS AND APPLICATIONS THEREOF SYNDEVRX, INC. 2023-07-20 US disclosed
CN-115286569-B Method for synthesizing fluoro-aza-aromatic compound through C-H bond functionalization 南昌大学 2023-06-27 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
CN-115286569-A Method for synthesizing fluoro-aza-arene compound through C-H bond functionalization 南昌大学 2022-11-04 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
CN-113754631-B Heteroaryl method of indole 中国科学院理化技术研究所 2022-08-30 CN disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
WO-2000064886-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 WO disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 WO disclosed
WO-1994027969-A1 ISOQUINOLINETRIONE DERIVATIVES AS HERBICIDES ZENECA LIMITED (GB) 1994-12-08 WO disclosed
US-4847264-A ANTIULCER AGENTS, ANTISECRETORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-07-11 US disclosed
US-4632927-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-12-30 US disclosed
EP-0113782-A4 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1986-03-18 EP disclosed
EP-0113782-A1 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-07-25 EP disclosed
WO-1984000544-A1 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-02-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR MAPT 3962/4885LMNA 1130/4885KDM4E 3961/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MAPT 4590/4885LMNA 1918/4885KDM4E 4037/4885
US-20230225996-A1 BIOMARKERS OF METAP2 INHIBITORS AND APPLICATIONS THEREOF METAP2, METAP1, PEBP1 MAPT 3070/4885LMNA 3649/4885KDM4E 3981/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAPT 4675/4885LMNA 2043/4885KDM4E 3428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.